Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:58:00 UTC
Update Date2025-03-25 00:52:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02196604
Frequency0.5
Structure
Chemical FormulaC12H19NO2
Molecular Mass209.1416
SMILESCCC(CN)c1ccc(OC)c(OC)c1
InChI KeyNQGJJYCJKYLBSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass methoxybenzenes
Direct Parent dimethoxybenzenes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • anisoles
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylpropanes
  • Substituents
  • phenol ether
  • ether
  • alkyl aryl ether
  • phenylpropane
  • aromatic homomonocyclic compound
  • dimethoxybenzene
  • organic oxygen compound
  • anisole
  • o-dimethoxybenzene
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • phenoxy compound
  • organooxygen compound